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A personal perspective on density-functional theory: 50 years young and stronger than ever

Fifty years ago, in 1964, Pierre Hohenberg and Walter Kohn laid the foundations to density-functional theory. This theory and its implementations in computer codes were resoundingly successful to this day. In this personal view on density-functional theory we will discuss a few problems and open questions regarding developments in functionals, treatment of systems, handling of excited states, accounting for dispersion interactions, choice of reference systems, ways beyond locality, and consequences of how exchange interactions are treated.

Publication details

Print publication date
13 Nov 2014
Copyright year
Print ISBN
ePub eISBN
From the book series:
SPR - Chemical Modelling